N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O7S/c24-23(25)16-2-3-17(20(14-16)31(26,27)22-7-9-28-10-8-22)21-6-5-15-1-4-18-19(13-15)30-12-11-29-18/h1-4,13-14,21H,5-12H2